NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4478 8.1633 120.6050 55.4776 33.9637 173.8812 2 Q 5.0429 8.4522 124.2688 52.2535 32.2658 172.9582 3 I 4.6728 9.1659 116.5097 59.1218 42.2274 173.5667 4 F 5.3874 8.7704 121.7058 55.9797 41.5904 175.2724 5 V 4.8235 9.1162 122.5879 61.1654 34.0815 174.3287 6 K 4.9014 9.0378 129.1193 55.9527 33.6167 177.2999 7 T 4.6633 8.6421 115.8391 60.1067 71.2865 175.3219 8 L 3.9631 8.5569 122.6144 58.5017 42.0849 177.8920 9 T 4.0423 7.3535 105.9262 62.3699 68.8110 175.3468 10 G 3.9330 7.8043 111.3589 44.7883 0.0000 173.8713 11 K 4.0478 7.5496 121.4540 57.0115 33.3001 175.4363 12 T 4.9886 8.5071 123.7003 62.0545 70.4307 173.7286 13 I 4.5510 8.8621 127.7458 59.9556 39.9015 174.7128 14 T 5.0566 8.5353 122.1344 61.8428 70.6409 173.4786 15 L 4.7515 8.8355 126.7062 52.7460 45.0196 175.1294 16 E 4.6958 8.6547 124.0473 55.5669 30.4646 175.4299 17 V 4.6876 8.8031 119.7107 60.1183 36.5332 174.0415 18 E 4.7504 9.4047 120.1079 54.0077 32.6039 176.2894 19 P 4.1591 0.0000 0.0000 65.5229 31.5732 178.1891 20 S 4.6582 7.8209 111.2275 58.1256 63.4104 173.9485 21 D 4.4294 7.9939 122.7283 54.5526 41.2641 176.5483 22 T 4.6349 8.2633 113.7637 61.4861 71.0256 175.7632 23 I 3.7306 8.6413 123.5802 64.3660 37.0747 178.3140 24 E 3.9165 8.5303 120.6564 59.5681 29.4247 178.6912 25 N 4.3358 8.1197 116.2934 56.3478 38.5011 177.5774 26 V 3.5811 7.7782 119.6060 65.9597 31.5455 178.2677 27 K 4.3062 8.6684 119.6627 58.8743 31.8757 179.2061 28 A 4.0001 8.0582 121.1553 55.0501 18.3868 179.8848 29 K 3.9722 8.0476 117.1457 59.5806 32.1101 179.6971 30 I 3.7375 8.0451 120.4293 64.3069 36.9483 178.1474 31 Q 4.1354 8.4501 120.8318 59.2616 28.5978 178.2230 32 D 4.3333 7.8149 118.8620 57.3176 40.9704 178.6953 33 K 4.1402 7.7885 117.2231 59.0017 32.3414 178.5460 34 E 4.5497 8.6137 115.8635 55.3091 30.5194 177.2497 35 G 3.8867 8.0266 106.7969 45.5601 0.0000 173.1401 36 I 4.2304 7.4089 120.3379 58.8785 38.3583 174.0622 37 P 4.3924 0.0000 0.0000 61.8875 32.0743 175.6882 38 P 4.3151 0.0000 0.0000 65.6165 31.4393 178.3143 39 D 4.4440 8.0685 116.2079 55.5730 39.6200 176.7679 40 Q 4.3823 8.1970 118.0799 55.9470 29.3226 174.5351 41 Q 4.8772 7.9203 118.7263 54.4453 31.1731 174.7782 42 R 4.7219 9.1452 122.3810 54.3695 33.5188 174.4823 43 L 5.1774 8.5072 123.2943 53.0962 44.4914 175.3795 44 I 5.0636 8.7165 123.4678 59.4290 41.1688 174.2404 45 F 5.1065 9.0905 128.1002 56.6641 42.3090 174.7193 46 A 3.6446 9.4453 129.7742 53.0584 15.8740 177.6219 47 G 3.8902 8.3780 107.9942 46.0040 0.0000 173.7403 48 K 4.4527 7.6391 121.6097 54.2350 33.7844 174.6836 49 Q 4.5990 8.5494 127.8413 56.1022 29.5372 175.1151 50 L 4.2527 8.7796 127.2381 54.0092 43.2144 175.9454 51 E 4.6776 9.2251 122.2797 54.9094 31.2078 177.4053 52 D 4.4172 8.9592 123.2766 57.0276 41.1933 178.3096 53 G 3.7545 7.9980 105.7792 46.3383 0.0000 173.8544 54 R 4.3432 7.9678 120.0701 55.4314 31.4233 175.4215 55 T 5.0392 8.2118 109.3305 59.6525 71.3137 175.7791 56 L 4.1269 8.6122 122.5367 58.0254 41.9533 180.3369 57 S 4.1113 8.3312 113.2951 61.2250 63.1345 175.9718 58 D 4.1940 7.8940 120.3269 57.0371 40.5283 176.9729 59 Y 4.5599 7.3703 112.1523 56.9513 38.1392 174.8105 60 N 4.1824 8.0294 117.3064 54.5043 37.9460 173.9751 61 I 3.5907 7.7821 117.6132 60.2118 37.7956 175.7150 62 Q 4.6165 8.6776 124.2573 53.0259 31.8092 174.7088 63 R 3.9517 8.3415 118.3006 58.5970 29.9817 176.0914 64 E 3.7100 9.3859 123.4805 56.5995 28.0915 174.8656 65 S 4.5740 8.0640 115.9562 59.1029 64.2813 173.2119 66 T 5.2055 8.7757 118.6438 62.0547 70.5509 173.7099 67 L 5.0715 9.3247 126.4193 53.5498 45.0150 174.9611 68 H 5.2215 9.1565 118.8698 54.0719 31.2943 173.2369 69 L 4.8343 8.7829 126.5396 53.9107 42.9675 175.5866 70 V 4.4338 9.0210 127.2416 61.1574 33.8387 174.2383 71 L 5.0069 8.3734 127.3870 53.2555 43.2923 176.2222 72 R 3.9926 8.8968 124.9531 55.9751 30.5422 175.4798 73 L 3.7270 8.7256 127.2584 54.6557 41.2880 177.5289 74 R 3.8983 8.3727 124.8278 59.1495 28.7280 176.5828 75 G 4.0473 8.7054 112.3727 45.5787 0.0000 171.7453 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.45 0.00 2.28 1.97 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 2 Q 8.45 5.04 0.00 1.88 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 3 I 9.17 4.67 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.23 0.80 0.00 0.00 4 F 8.77 5.39 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.12 4.82 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.94 0.00 0.00 6 K 9.04 4.90 0.00 1.53 1.67 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.31 7.81 7 T 8.64 4.66 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 L 8.56 3.96 0.00 1.62 1.75 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.35 4.04 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 G 7.80 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.55 4.05 0.00 1.97 1.70 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 12 T 8.51 4.99 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 13 I 8.86 4.55 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.93 0.00 0.00 14 T 8.54 5.06 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 15 L 8.84 4.75 0.00 1.47 1.48 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.65 4.70 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 17 V 8.80 4.69 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.85 0.00 0.00 18 E 9.40 4.75 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 19 P 0.00 4.16 0.00 2.15 2.08 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 20 S 7.82 4.66 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.99 4.43 0.00 2.87 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.26 4.63 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 23 I 8.64 3.73 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.10 0.96 0.00 0.00 24 E 8.53 3.92 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 25 N 8.12 4.34 0.00 3.05 2.84 0.00 0.00 6.71 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.78 3.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.96 0.00 0.00 27 K 8.67 4.31 0.00 1.98 1.84 0.00 1.84 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.48 7.81 28 A 8.06 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.05 3.97 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.60 7.81 30 I 8.05 3.74 2.13 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.91 0.00 0.00 31 Q 8.45 4.14 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 32 D 7.81 4.33 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.79 4.14 0.00 1.77 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 34 E 8.61 4.55 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 35 G 8.03 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.41 4.23 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 0.91 0.00 0.00 37 P 0.00 4.39 0.00 2.37 1.97 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.32 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.07 4.44 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.20 4.38 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 41 Q 7.92 4.88 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 42 R 9.15 4.72 0.00 1.75 1.79 0.00 3.26 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.51 5.18 0.00 1.55 1.52 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.72 5.06 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.79 0.88 0.00 0.00 45 F 9.09 5.11 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.45 3.64 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.38 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.64 4.45 0.00 1.81 1.80 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.39 7.81 49 Q 8.55 4.60 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.78 4.25 0.00 1.37 1.19 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.23 4.68 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 52 D 8.96 4.42 0.00 2.80 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.97 4.34 0.00 2.18 1.77 0.00 2.98 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 55 T 8.21 5.04 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 56 L 8.61 4.13 0.00 1.90 1.69 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.33 4.11 0.00 3.98 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.89 4.19 0.00 2.63 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.37 4.56 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.03 4.18 0.00 2.91 3.05 0.00 0.00 7.12 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.78 3.59 1.75 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.02 0.58 0.00 0.00 62 Q 8.68 4.62 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 63 R 8.34 3.95 0.00 1.73 1.85 0.00 3.30 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 64 E 9.39 3.71 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 65 S 8.06 4.57 0.00 3.78 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.78 5.21 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 67 L 9.32 5.07 0.00 1.60 1.59 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.16 5.22 0.00 3.04 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.78 4.83 0.00 1.63 1.59 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.02 4.43 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.94 0.00 0.00 71 L 8.37 5.01 0.00 1.57 1.57 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.90 3.99 0.00 1.80 1.86 0.00 3.31 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 73 L 8.73 3.73 0.00 1.65 1.68 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.37 3.90 0.00 1.77 1.89 0.00 3.21 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 75 G 8.71 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00